Found 5 results

Search term: MF = 'C_{16}H_{26}O_{6}Si_{2}'
ChemSpider 2D Image | Trimethylsilyl 3-methoxy-2-(2-oxo-2-((trimethylsilyl)oxy)ethoxy)benzoate | C16H26O6Si2

Trimethylsilyl 3-methoxy-2-(2-oxo-2-((trimethylsilyl)oxy)ethoxy)benzoate

  • Molecular FormulaC16H26O6Si2
  • Average mass370.545 Da
  • Monoisotopic mass370.126801 Da
  • ChemSpider ID481168

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Méthoxy-2-{2-oxo-2-[(triméthylsilyl)oxy]éthoxy}benzoate de triméthylsilyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-2-[2-oxo-2-[(trimethylsilyl)oxy]ethoxy]-, trimethylsilyl ester [ACD/Index Name]
Trimethylsilyl 3-methoxy-2-(2-oxo-2-((trimethylsilyl)oxy)ethoxy)benzoate
Trimethylsilyl 3-methoxy-2-{2-oxo-2-[(trimethylsilyl)oxy]ethoxy}benzoate [ACD/IUPAC Name]
Trimethylsilyl-3-methoxy-2-{2-oxo-2-[(trimethylsilyl)oxy]ethoxy}benzoat [German] [ACD/IUPAC Name]
Trimethylsilyl 3-methoxy-2-(2-oxo-2-[(trimethylsilyl)oxy]ethoxy)benzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 382.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 154.1±23.4 °C
Index of Refraction: 1.475
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.79
ACD/KOC (pH 5.5): 1958.55
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.79
ACD/KOC (pH 7.4): 1958.55
Polar Surface Area: 71 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  357.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.31E-005  (Modified Grain method)
    Subcooled liquid VP: 8.67E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5894
       log Kow used: 4.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  119.39 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.22E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.565E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.56  (KowWin est)
  Log Kaw used:  -4.530  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.090
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8350
   Biowin2 (Non-Linear Model)     :   0.9041
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2641  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4674  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0772
   Biowin6 (MITI Non-Linear Model):   0.0099
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3748
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0116 Pa (8.67E-005 mm Hg)
  Log Koa (Koawin est  ): 9.090
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00026 
       Octanol/air (Koa) model:  0.000302 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00929 
       Mackay model           :  0.0203 
       Octanol/air (Koa) model:  0.0236 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.4500 E-12 cm3/molecule-sec
      Half-Life =     0.523 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.276 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0148 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  558.6
      Log Koc:  2.747 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.814 (BCF = 650.9)
       log Kow used: 4.56 (estimated)

 Volatilization from Water:
    Henry LC:  7.22E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1563  hours   (65.12 days)
    Half-Life from Model Lake : 1.721E+004  hours   (717.2 days)

 Removal In Wastewater Treatment:
    Total removal:              59.16  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    58.60  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.385           12.6         1000       
   Water     14.5            900          1000       
   Soil      72.7            1.8e+003     1000       
   Sediment  12.5            8.1e+003     0          
     Persistence Time: 1.25e+003 hr

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